N-[(3-chloro-4-methoxyphenyl)methyl]-1-naphthalen-1-ylethanamine;hydrochloride

C20H21Cl2NO — CID 18357734

IUPACN-[(3-chloro-4-methoxyphenyl)methyl]-1-naphthalen-1-ylethanamine;hydrochloride
SMILESCOc1ccc(CNC(C)c2cccc3ccccc23)cc1Cl.Cl
InChIInChI=1S/C20H20ClNO.ClH/c1-14(17-9-5-7-16-6-3-4-8-18(16)17)22-13-15-10-11-20(23-2)19(21)12-15;/h3-12,14,22H,13H2,1-2H3;1H
InChIKeyHMTUJIUTOMFXPW-UHFFFAOYSA-N
MW362.30 g/mol
LogP5.77
Rot. Bonds5

About N-[(3-chloro-4-methoxyphenyl)methyl]-1-naphthalen-1-ylethanamine;hydrochloride

N-[(3-chloro-4-methoxyphenyl)methyl]-1-naphthalen-1-ylethanamine;hydrochloride (PubChem CID 18357734) has the molecular formula C20H21Cl2NO and a molecular weight of 362.30 g/mol. Its IUPAC name is N-[(3-chloro-4-methoxyphenyl)methyl]-1-naphthalen-1-ylethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(3-chloro-4-methoxyphenyl)methyl]-1-naphthalen-1-ylethanamine;hydrochloride
PubChem CID18357734
Molecular FormulaC20H21Cl2NO
Molecular Weight362.30 g/mol
Exact Mass361.10
IUPAC NameN-[(3-chloro-4-methoxyphenyl)methyl]-1-naphthalen-1-ylethanamine;hydrochloride
SMILESCOc1ccc(CNC(C)c2cccc3ccccc23)cc1Cl.Cl
InChIInChI=1S/C20H20ClNO.ClH/c1-14(17-9-5-7-16-6-3-4-8-18(16)17)22-13-15-10-11-20(23-2)19(21)12-15;/h3-12,14,22H,13H2,1-2H3;1H
InChIKeyHMTUJIUTOMFXPW-UHFFFAOYSA-N
XLogP5.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.30
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chloro-4-methoxyphenyl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 65022718
(1R)-N-[(4-ethoxy-3-methylphenyl)methyl]-1-naphthalen-1-ylethanamine
CID 25197103
(1S)-1-(2-chlorophenyl)-N-[(4-methoxy-3-methylphenyl)methyl]ethanamine
CID 81376878
(1S)-N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81354628
N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-naphthalen-1-ylethanamine
CID 60590247
N-[2-methoxy-5-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]-N-methylbenzamide
CID 24956981
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3,4-dichlorophenyl)ethanamine
CID 65022720
(1R)-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-naphthalen-1-ylethanamine
CID 30624665
(1R)-N-[(2,4-dimethoxyphenyl)methyl]-1-naphthalen-1-ylethanamine
CID 30624473
(1S)-N-[(3-chloro-4-methoxyphenyl)methyl]-1-pyridin-4-ylethanamine
CID 81405869
(1R)-1-naphthalen-1-yl-N-[[3-(2-phenylethynyl)phenyl]methyl]ethanamine
CID 59562831
N-[(4-fluorophenyl)methyl]-1-naphthalen-1-ylethanamine
CID 43178671

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methoxyphenyl)methyl]-1-naphthalen-1-ylethanamine;hydrochloride?
The IUPAC name of N-[(3-chloro-4-methoxyphenyl)methyl]-1-naphthalen-1-ylethanamine;hydrochloride (CID 18357734) is N-[(3-chloro-4-methoxyphenyl)methyl]-1-naphthalen-1-ylethanamine;hydrochloride.
What is the SMILES notation for N-[(3-chloro-4-methoxyphenyl)methyl]-1-naphthalen-1-ylethanamine;hydrochloride?
The canonical SMILES for N-[(3-chloro-4-methoxyphenyl)methyl]-1-naphthalen-1-ylethanamine;hydrochloride is COc1ccc(CNC(C)c2cccc3ccccc23)cc1Cl.Cl.
What is the InChIKey of N-[(3-chloro-4-methoxyphenyl)methyl]-1-naphthalen-1-ylethanamine;hydrochloride?
The InChIKey is HMTUJIUTOMFXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO.ClH/c1-14(17-9-5-7-16-6-3-4-8-18(16)17)22-13-15-10-11-20(23-2)19(21)12-15;/h3-12,14,22H,13H2,1-2H3;1H.
What are the key properties of N-[(3-chloro-4-methoxyphenyl)methyl]-1-naphthalen-1-ylethanamine;hydrochloride?
N-[(3-chloro-4-methoxyphenyl)methyl]-1-naphthalen-1-ylethanamine;hydrochloride has a molecular weight of 362.30 g/mol, XLogP of 5.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methoxyphenyl)methyl]-1-naphthalen-1-ylethanamine;hydrochloride is sourced from PubChem (CID 18357734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).